Focused On-demand Library for Origin recognition complex subunit 4

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We use our state-of-the-art dedicated workflow for designing focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
O43929

UPID:
ORC4_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
O43929; B7Z3D0; B7Z5F1; D3DP86; F5H069; Q96C42

BACKGROUND:
The Origin recognition complex subunit 4 is integral to the origin recognition complex (ORC), essential for the initiation of DNA replication. By binding to origins of replication in an ATP-dependent fashion, it ensures the proper assembly of the pre-replication complex. Its ability to bind specific histone trimethylation marks further implicates it in the regulation of genomic stability and cell cycle progression.

THERAPEUTIC SIGNIFICANCE:
Its association with Meier-Gorlin syndrome 2, characterized by developmental and skeletal abnormalities, highlights the therapeutic potential of targeting Origin recognition complex subunit 4. Delving into its function offers a promising avenue for developing novel treatments for diseases stemming from aberrations in DNA replication and chromatin architecture.

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